5-butylnaphthalene-1-sulfonic Acid

Base Information

• Chemical Name: 5-butylnaphthalene-1-sulfonic Acid
• CAS No.: 66375-38-0
• Molecular Formula: C14H16O3S
• Molecular Weight: 264.34
• DSSTox Substance ID: DTXSID70276018
• Nikkaji Number: J178.513C
• Wikidata: Q82006325
• Mol file: 66375-38-0.mol

Synonyms:5-butylnaphthalene-1-sulfonic Acid;66375-38-0;DTXSID70276018;5-n-butyl naphthalene sulfonic acid

Chemical Property of 5-butylnaphthalene-1-sulfonic Acid

Chemical Property:

• PKA: 0.25±0.40(Predicted)
• PSA: 62.75000
• Density: 1.245±0.06 g/cm3(Predicted)
• LogP: 4.50990
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 264.08201554
• Heavy Atom Count: 18
• Complexity: 358

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C2C=CC=C(C2=CC=C1)S(=O)(=O)O